Process Modeling of Toray 3900 Epoxy Resin Using Molecular Dynamics

Sagar Patil, Michigan Technological University
Joshua Kemppainen, Michigan Technological University
Gregory Odegard, Michigan Technological University
Marianna Maiarù, University of Massachusetts Lowell


This article details the modeling of Toray epoxy system using Molecular Dynamics to predict the volumetric shrinkage as a function of crosslinking density. The “Reacter” utility in LAMMPS is used to virtually simulate the curing of the epoxy. The results for the shrinkage showed good agreement with other modeling data in the literature. These physical properties and thermo-mechanical properties will be utilized for process modeling of composite laminates of the epoxy system.